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Compile Data Set for Download or QSAR

Found 154 hits Enz. Inhib. hit(s) with Target = 'Neuropeptide S receptor'   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Neuropeptide S receptor


(Homo sapiens)
BDBM50443390
PNG
(CHEMBL1474387)
Show SMILES Cc1c(n2ccccc2[n+]1C\C=C\c1ccccc1)P(=S)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H26N2PS/c1-24-29(32(33,26-17-7-3-8-18-26)27-19-9-4-10-20-27)31-22-12-11-21-28(31)30(24)23-13-16-25-14-5-2-6-15-25/h2-22H,23H2,1H3/q+1/b16-13+
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n/an/a 0.960n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Antagonist activity at neuropeptide S receptor (unknown origin) expressed in CHO cells assessed as inhibition of NPS-induced calcium mobilization aft...


Citation and Details
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens)
BDBM50322839
PNG
(CHEMBL1210313 | N-(3-methyl-1-morpholinopentan-3-y...)
Show SMILES CCC(C)(CCN1CCOCC1)N(Cc1cc2ccccc2n(C)c1=O)C(=O)C1CCCCC1
Show InChI InChI=1S/C28H41N3O3/c1-4-28(2,14-15-30-16-18-34-19-17-30)31(27(33)22-10-6-5-7-11-22)21-24-20-23-12-8-9-13-25(23)29(3)26(24)32/h8-9,12-13,20,22H,4-7,10-11,14-19,21H2,1-3H3
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n/an/a 1.20n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Antagonist activity at neuropeptide S receptor (unknown origin) expressed in CHO cells assessed as cAMP level after 30 mins by phosphate-buffered sal...


Citation and Details
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens)
BDBM50443390
PNG
(CHEMBL1474387)
Show SMILES Cc1c(n2ccccc2[n+]1C\C=C\c1ccccc1)P(=S)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H26N2PS/c1-24-29(32(33,26-17-7-3-8-18-26)27-19-9-4-10-20-27)31-22-12-11-21-28(31)30(24)23-13-16-25-14-5-2-6-15-25/h2-22H,23H2,1H3/q+1/b16-13+
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n/an/a 1.30n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Antagonist activity at neuropeptide S receptor (unknown origin) expressed in CHO cells assessed as inhibition of NPS-induced ERK activation after 20 ...


Citation and Details
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens)
BDBM50322839
PNG
(CHEMBL1210313 | N-(3-methyl-1-morpholinopentan-3-y...)
Show SMILES CCC(C)(CCN1CCOCC1)N(Cc1cc2ccccc2n(C)c1=O)C(=O)C1CCCCC1
Show InChI InChI=1S/C28H41N3O3/c1-4-28(2,14-15-30-16-18-34-19-17-30)31(27(33)22-10-6-5-7-11-22)21-24-20-23-12-8-9-13-25(23)29(3)26(24)32/h8-9,12-13,20,22H,4-7,10-11,14-19,21H2,1-3H3
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n/an/a 1.30n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr10-NPS from neuropeptide S receptor (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens)
BDBM50417462
PNG
(CHEMBL469696)
Show SMILES O=C(NCc1ccccc1)N1CCN2C(C1)C(OC2=O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H25N3O3/c30-24(27-18-20-10-4-1-5-11-20)28-16-17-29-23(19-28)26(32-25(29)31,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,23H,16-19H2,(H,27,30)
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n/an/a 2n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant GPR154 receptor expressed in HEK293 cells assessed as inhibition of neuropeptide S-induced increase of intra...


Citation and Details
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens)
BDBM50443406
PNG
(CHEMBL3086823)
Show SMILES Cc1c(n2ccccc2[n+]1C\C=C\c1ccc(Cl)cc1)P(=S)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H25ClN2PS/c1-23-29(33(34,26-12-4-2-5-13-26)27-14-6-3-7-15-27)32-21-9-8-16-28(32)31(23)22-10-11-24-17-19-25(30)20-18-24/h2-21H,22H2,1H3/q+1/b11-10+
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n/an/a 2.20n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Antagonist activity at neuropeptide S receptor (unknown origin) expressed in CHO cells assessed as inhibition of NPS-induced calcium mobilization aft...


Citation and Details
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens)
BDBM50443409
PNG
(CHEMBL3086836)
Show SMILES COc1cccc(\C=C\C[n+]2c(C)c(n3ccccc23)P(=S)(c2ccccc2)c2ccccc2)c1
Show InChI InChI=1S/C30H28N2OPS/c1-24-30(34(35,27-16-5-3-6-17-27)28-18-7-4-8-19-28)32-21-10-9-20-29(32)31(24)22-12-14-25-13-11-15-26(23-25)33-2/h3-21,23H,22H2,1-2H3/q+1/b14-12+
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n/an/a 3.20n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Antagonist activity at neuropeptide S receptor (unknown origin) expressed in CHO cells assessed as inhibition of NPS-induced calcium mobilization aft...


Citation and Details
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens)
BDBM50443408
PNG
(CHEMBL3086837)
Show SMILES Cc1c(n2ccccc2[n+]1C\C=C\c1ccccc1Cl)P(=S)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H25ClN2PS/c1-23-29(33(34,25-15-4-2-5-16-25)26-17-6-3-7-18-26)32-21-11-10-20-28(32)31(23)22-12-14-24-13-8-9-19-27(24)30/h2-21H,22H2,1H3/q+1/b14-12+
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n/an/a 3.40n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Antagonist activity at neuropeptide S receptor (unknown origin) expressed in CHO cells assessed as inhibition of NPS-induced calcium mobilization aft...


Citation and Details
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens)
BDBM50443400
PNG
(CHEMBL3086821)
Show SMILES Cc1c(n2ccccc2[n+]1C\C=C\c1ccc(F)cc1)P(=S)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H25FN2PS/c1-23-29(33(34,26-12-4-2-5-13-26)27-14-6-3-7-15-27)32-21-9-8-16-28(32)31(23)22-10-11-24-17-19-25(30)20-18-24/h2-21H,22H2,1H3/q+1/b11-10+
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n/an/a 3.40n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Antagonist activity at neuropeptide S receptor (unknown origin) expressed in CHO cells assessed as inhibition of NPS-induced calcium mobilization aft...


Citation and Details
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens)
BDBM50443390
PNG
(CHEMBL1474387)
Show SMILES Cc1c(n2ccccc2[n+]1C\C=C\c1ccccc1)P(=S)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H26N2PS/c1-24-29(32(33,26-17-7-3-8-18-26)27-19-9-4-10-20-27)31-22-12-11-21-28(31)30(24)23-13-16-25-14-5-2-6-15-25/h2-22H,23H2,1H3/q+1/b16-13+
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n/an/a 3.5n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr10-NPS from human neuropeptide S receptor expressed in CHO cells after 1.5 hrs by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens)
BDBM50443405
PNG
(CHEMBL3086824)
Show SMILES Cc1c(n2ccccc2[n+]1C\C=C\c1ccc(cc1)C(F)(F)F)P(=S)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C30H25F3N2PS/c1-23-29(36(37,26-12-4-2-5-13-26)27-14-6-3-7-15-27)35-21-9-8-16-28(35)34(23)22-10-11-24-17-19-25(20-18-24)30(31,32)33/h2-21H,22H2,1H3/q+1/b11-10+
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n/an/a 4.5n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Antagonist activity at neuropeptide S receptor (unknown origin) expressed in CHO cells assessed as inhibition of NPS-induced calcium mobilization aft...


Citation and Details
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens)
BDBM50443391
PNG
(CHEMBL469695)
Show SMILES Fc1ccc(CNC(=O)N2CCN3C(C2)C(OC3=O)(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C26H24FN3O3/c27-22-13-11-19(12-14-22)17-28-24(31)29-15-16-30-23(18-29)26(33-25(30)32,20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,23H,15-18H2,(H,28,31)
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n/an/a 5.30n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Antagonist activity at neuropeptide S receptor (unknown origin) expressed in CHO cells assessed as cAMP level after 30 mins by phosphate-buffered sal...


Citation and Details
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens)
BDBM50443404
PNG
(CHEMBL3086825)
Show SMILES Cc1c(n2ccccc2[n+]1C\C=C\c1ccc(Br)cc1)P(=S)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H25BrN2PS/c1-23-29(33(34,26-12-4-2-5-13-26)27-14-6-3-7-15-27)32-21-9-8-16-28(32)31(23)22-10-11-24-17-19-25(30)20-18-24/h2-21H,22H2,1H3/q+1/b11-10+
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n/an/a 5.70n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Antagonist activity at neuropeptide S receptor (unknown origin) expressed in CHO cells assessed as inhibition of NPS-induced calcium mobilization aft...


Citation and Details
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens)
BDBM50443392
PNG
(CHEMBL1472563)
Show SMILES Cc1c(n2ccccc2[n+]1CCCCCc1ccccc1)P(=S)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C31H32N2PS/c1-26-31(34(35,28-19-9-3-10-20-28)29-21-11-4-12-22-29)33-25-15-13-23-30(33)32(26)24-14-5-8-18-27-16-6-2-7-17-27/h2-4,6-7,9-13,15-17,19-23,25H,5,8,14,18,24H2,1H3/q+1
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n/an/a 6.20n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Antagonist activity at neuropeptide S receptor (unknown origin) expressed in CHO cells assessed as inhibition of NPS-induced ERK activation after 20 ...


Citation and Details
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens)
BDBM50322839
PNG
(CHEMBL1210313 | N-(3-methyl-1-morpholinopentan-3-y...)
Show SMILES CCC(C)(CCN1CCOCC1)N(Cc1cc2ccccc2n(C)c1=O)C(=O)C1CCCCC1
Show InChI InChI=1S/C28H41N3O3/c1-4-28(2,14-15-30-16-18-34-19-17-30)31(27(33)22-10-6-5-7-11-22)21-24-20-23-12-8-9-13-25(23)29(3)26(24)32/h8-9,12-13,20,22H,4-7,10-11,14-19,21H2,1-3H3
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n/an/a 6.70n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr10-NPS from human neuropeptide S receptor expressed in CHO cells after 1.5 hrs by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens)
BDBM50322836
PNG
(CHEMBL1210244 | rac-N-(3-methyl-1-(piperidin-1-yl)...)
Show SMILES CCC(C)(CCN1CCCCC1)N(Cc1cc2ccccc2n(C)c1=O)C(=O)C1CCCCC1
Show InChI InChI=1S/C29H43N3O2/c1-4-29(2,17-20-31-18-11-6-12-19-31)32(28(34)23-13-7-5-8-14-23)22-25-21-24-15-9-10-16-26(24)30(3)27(25)33/h9-10,15-16,21,23H,4-8,11-14,17-20,22H2,1-3H3
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n/an/a 7n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant NPS receptor expressed in CHOK1 cells assessed as inhibition of NPS-induced calcium mobilization by FLIPR as...


Citation and Details
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens)
BDBM50443399
PNG
(CHEMBL3086822)
Show SMILES Cc1c(n2ccccc2[n+]1C\C=C\c1ccc(C)cc1)P(=S)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C30H28N2PS/c1-24-18-20-26(21-19-24)12-11-23-31-25(2)30(32-22-10-9-17-29(31)32)33(34,27-13-5-3-6-14-27)28-15-7-4-8-16-28/h3-22H,23H2,1-2H3/q+1/b12-11+
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n/an/a 9n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Antagonist activity at neuropeptide S receptor (unknown origin) expressed in CHO cells assessed as inhibition of NPS-induced calcium mobilization aft...


Citation and Details
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens)
BDBM50443398
PNG
(CHEMBL1514777)
Show SMILES Cc1nc2ccccn2c1P(=S)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C20H17N2PS/c1-16-20(22-15-9-8-14-19(22)21-16)23(24,17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-15H,1H3
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n/an/a 9.10n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Antagonist activity at neuropeptide S receptor (unknown origin) expressed in CHO cells assessed as inhibition of NPS-induced ERK activation after 20 ...


Citation and Details
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens)
BDBM50443407
PNG
(CHEMBL3086838)
Show SMILES Cc1c(n2ccccc2[n+]1C\C=C\c1cccc(Cl)c1)P(=S)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H25ClN2PS/c1-23-29(33(34,26-15-4-2-5-16-26)27-17-6-3-7-18-27)32-20-9-8-19-28(32)31(23)21-11-13-24-12-10-14-25(30)22-24/h2-20,22H,21H2,1H3/q+1/b13-11+
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n/an/a 9.20n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Antagonist activity at neuropeptide S receptor (unknown origin) expressed in CHO cells assessed as inhibition of NPS-induced calcium mobilization aft...


Citation and Details
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens)
BDBM50331943
PNG
(5-phenyl-2-(2-(piperidine-1-carbonyl)phenyl)-2,3-d...)
Show SMILES O=C(N1CCCCC1)c1ccccc1N1Cn2c(ccc2-c2ccccc2)C1=O
Show InChI InChI=1S/C24H23N3O2/c28-23(25-15-7-2-8-16-25)19-11-5-6-12-21(19)27-17-26-20(13-14-22(26)24(27)29)18-9-3-1-4-10-18/h1,3-6,9-14H,2,7-8,15-17H2
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n/an/a 10n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant GPR154 receptor expressed in HEK293 cells assessed as inhibition of neuropeptide S-induced increase of intra...


Citation and Details
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens)
BDBM50322839
PNG
(CHEMBL1210313 | N-(3-methyl-1-morpholinopentan-3-y...)
Show SMILES CCC(C)(CCN1CCOCC1)N(Cc1cc2ccccc2n(C)c1=O)C(=O)C1CCCCC1
Show InChI InChI=1S/C28H41N3O3/c1-4-28(2,14-15-30-16-18-34-19-17-30)31(27(33)22-10-6-5-7-11-22)21-24-20-23-12-8-9-13-25(23)29(3)26(24)32/h8-9,12-13,20,22H,4-7,10-11,14-19,21H2,1-3H3
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n/an/a 10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant NPS receptor expressed in CHOK1 cells assessed as inhibition of NPS-induced calcium mobilization by FLIPR as...


Citation and Details
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens)
BDBM50331943
PNG
(5-phenyl-2-(2-(piperidine-1-carbonyl)phenyl)-2,3-d...)
Show SMILES O=C(N1CCCCC1)c1ccccc1N1Cn2c(ccc2-c2ccccc2)C1=O
Show InChI InChI=1S/C24H23N3O2/c28-23(25-15-7-2-8-16-25)19-11-5-6-12-21(19)27-17-26-20(13-14-22(26)24(27)29)18-9-3-1-4-10-18/h1,3-6,9-14H,2,7-8,15-17H2
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n/an/a 10n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Antagonist activity at neuropeptide S receptor (unknown origin) assessed as intracellular calcium level by cell based assay


Citation and Details
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens)
BDBM50322839
PNG
(CHEMBL1210313 | N-(3-methyl-1-morpholinopentan-3-y...)
Show SMILES CCC(C)(CCN1CCOCC1)N(Cc1cc2ccccc2n(C)c1=O)C(=O)C1CCCCC1
Show InChI InChI=1S/C28H41N3O3/c1-4-28(2,14-15-30-16-18-34-19-17-30)31(27(33)22-10-6-5-7-11-22)21-24-20-23-12-8-9-13-25(23)29(3)26(24)32/h8-9,12-13,20,22H,4-7,10-11,14-19,21H2,1-3H3
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n/an/a 10n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Antagonist activity at neuropeptide S receptor (unknown origin) assessed as intracellular calcium level by cell based assay


Citation and Details
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens)
BDBM50322839
PNG
(CHEMBL1210313 | N-(3-methyl-1-morpholinopentan-3-y...)
Show SMILES CCC(C)(CCN1CCOCC1)N(Cc1cc2ccccc2n(C)c1=O)C(=O)C1CCCCC1
Show InChI InChI=1S/C28H41N3O3/c1-4-28(2,14-15-30-16-18-34-19-17-30)31(27(33)22-10-6-5-7-11-22)21-24-20-23-12-8-9-13-25(23)29(3)26(24)32/h8-9,12-13,20,22H,4-7,10-11,14-19,21H2,1-3H3
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n/an/a 11n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Antagonist activity at neuropeptide S receptor (unknown origin) expressed in CHO cells assessed as inhibition of NPS-induced ERK activation after 20 ...


Citation and Details
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens)
BDBM50443392
PNG
(CHEMBL1472563)
Show SMILES Cc1c(n2ccccc2[n+]1CCCCCc1ccccc1)P(=S)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C31H32N2PS/c1-26-31(34(35,28-19-9-3-10-20-28)29-21-11-4-12-22-29)33-25-15-13-23-30(33)32(26)24-14-5-8-18-27-16-6-2-7-17-27/h2-4,6-7,9-13,15-17,19-23,25H,5,8,14,18,24H2,1H3/q+1
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n/an/a 13n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Antagonist activity at neuropeptide S receptor (unknown origin) expressed in CHO cells assessed as inhibition of NPS-induced calcium mobilization aft...


Citation and Details
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens)
BDBM50443394
PNG
(CHEMBL3086834)
Show SMILES Cc1c(n2ccccc2[n+]1C(=O)Cc1ccccc1)P(=S)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H24N2OPS/c1-22-28(32(33,24-15-7-3-8-16-24)25-17-9-4-10-18-25)29-20-12-11-19-26(29)30(22)27(31)21-23-13-5-2-6-14-23/h2-20H,21H2,1H3/q+1
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n/an/a 13n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Antagonist activity at neuropeptide S receptor (unknown origin) expressed in CHO cells assessed as inhibition of NPS-induced ERK activation after 20 ...


Citation and Details
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens)
BDBM50443391
PNG
(CHEMBL469695)
Show SMILES Fc1ccc(CNC(=O)N2CCN3C(C2)C(OC3=O)(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C26H24FN3O3/c27-22-13-11-19(12-14-22)17-28-24(31)29-15-16-30-23(18-29)26(33-25(30)32,20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,23H,15-18H2,(H,28,31)
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n/an/a 14n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Antagonist activity at neuropeptide S receptor (unknown origin) expressed in CHO cells assessed as inhibition of NPS-induced ERK activation after 20 ...


Citation and Details
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens)
BDBM50322837
PNG
(CHEMBL1210311 | rac-N-(1-(4-fluoropiperidin-1-yl)-...)
Show SMILES CCC(C)(CCN1CCC(F)CC1)N(Cc1cc2ccccc2n(C)c1=O)C(=O)C1CCCCC1
Show InChI InChI=1S/C29H42FN3O2/c1-4-29(2,16-19-32-17-14-25(30)15-18-32)33(28(35)22-10-6-5-7-11-22)21-24-20-23-12-8-9-13-26(23)31(3)27(24)34/h8-9,12-13,20,22,25H,4-7,10-11,14-19,21H2,1-3H3
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n/an/a 14n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant NPS receptor expressed in CHOK1 cells assessed as inhibition of NPS-induced calcium mobilization by FLIPR as...


Citation and Details
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens)
BDBM50443393
PNG
(CHEMBL1553073)
Show SMILES Cc1c(n2ccccc2[n+]1CCCCc1ccccc1)P(=S)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C30H30N2PS/c1-25-30(33(34,27-18-7-3-8-19-27)28-20-9-4-10-21-28)32-24-14-12-22-29(32)31(25)23-13-11-17-26-15-5-2-6-16-26/h2-10,12,14-16,18-22,24H,11,13,17,23H2,1H3/q+1
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n/an/a 15n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Antagonist activity at neuropeptide S receptor (unknown origin) expressed in CHO cells assessed as inhibition of NPS-induced ERK activation after 20 ...


Citation and Details
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens)
BDBM50443396
PNG
(CHEMBL3086833)
Show SMILES Cc1c(n2ccccc2[n+]1Cc1ccccc1)P(=S)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H24N2PS/c1-22-27(30(31,24-15-7-3-8-16-24)25-17-9-4-10-18-25)28-20-12-11-19-26(28)29(22)21-23-13-5-2-6-14-23/h2-20H,21H2,1H3/q+1
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n/an/a 16n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Antagonist activity at neuropeptide S receptor (unknown origin) expressed in CHO cells assessed as inhibition of NPS-induced ERK activation after 20 ...


Citation and Details
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens)
BDBM50443395
PNG
(CHEMBL1315807)
Show SMILES Cc1c(n2ccccc2[n+]1CCc1ccccc1)P(=S)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H26N2PS/c1-23-28(31(32,25-15-7-3-8-16-25)26-17-9-4-10-18-26)30-21-12-11-19-27(30)29(23)22-20-24-13-5-2-6-14-24/h2-19,21H,20,22H2,1H3/q+1
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n/an/a 16n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Antagonist activity at neuropeptide S receptor (unknown origin) expressed in CHO cells assessed as inhibition of NPS-induced ERK activation after 20 ...


Citation and Details
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens)
BDBM50322842
PNG
(CHEMBL1210177 | N-((1-methyl-2-oxo-1,2-dihydroquin...)
Show SMILES CN1CCN(CC1)C1(CN(Cc2cc3ccccc3n(C)c2=O)C(=O)C2CCCCC2)CCCCC1
Show InChI InChI=1S/C30H44N4O2/c1-31-17-19-34(20-18-31)30(15-9-4-10-16-30)23-33(29(36)24-11-5-3-6-12-24)22-26-21-25-13-7-8-14-27(25)32(2)28(26)35/h7-8,13-14,21,24H,3-6,9-12,15-20,22-23H2,1-2H3
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n/an/a 18n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant NPS receptor expressed in CHOK1 cells assessed as inhibition of NPS-induced calcium mobilization by FLIPR as...


Citation and Details
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens)
BDBM50417464
PNG
(CHEMBL1289677)
Show SMILES O=C(Nc1ccccc1C(=O)N1CCCCC1)c1cccc(n1)-c1ccccc1
Show InChI InChI=1S/C24H23N3O2/c28-23(22-15-9-14-20(25-22)18-10-3-1-4-11-18)26-21-13-6-5-12-19(21)24(29)27-16-7-2-8-17-27/h1,3-6,9-15H,2,7-8,16-17H2,(H,26,28)
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n/an/a 19.9n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant GPR154 receptor expressed in HEK293 cells assessed as inhibition of neuropeptide S-induced increase of intra...


Citation and Details
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens)
BDBM50322838
PNG
(CHEMBL1210312 | rac-N-(1-(4,4-difluoropiperidin-1-...)
Show SMILES CCC(C)(CCN1CCC(F)(F)CC1)N(Cc1cc2ccccc2n(C)c1=O)C(=O)C1CCCCC1
Show InChI InChI=1S/C29H41F2N3O2/c1-4-28(2,14-17-33-18-15-29(30,31)16-19-33)34(27(36)22-10-6-5-7-11-22)21-24-20-23-12-8-9-13-25(23)32(3)26(24)35/h8-9,12-13,20,22H,4-7,10-11,14-19,21H2,1-3H3
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n/an/a 22n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant NPS receptor expressed in CHOK1 cells assessed as inhibition of NPS-induced calcium mobilization by FLIPR as...


Citation and Details
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens)
BDBM50322839
PNG
(CHEMBL1210313 | N-(3-methyl-1-morpholinopentan-3-y...)
Show SMILES CCC(C)(CCN1CCOCC1)N(Cc1cc2ccccc2n(C)c1=O)C(=O)C1CCCCC1
Show InChI InChI=1S/C28H41N3O3/c1-4-28(2,14-15-30-16-18-34-19-17-30)31(27(33)22-10-6-5-7-11-22)21-24-20-23-12-8-9-13-25(23)29(3)26(24)32/h8-9,12-13,20,22H,4-7,10-11,14-19,21H2,1-3H3
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n/an/a 23n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant NPS receptor expressed in CHOK1 cells assessed as inhibition of NPS-induced calcium mobilization by FLIPR as...


Citation and Details
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens)
BDBM50443403
PNG
(CHEMBL3086826)
Show SMILES Cc1c(n2ccccc2[n+]1C\C=C\c1cccc(Br)c1)P(=S)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H25BrN2PS/c1-23-29(33(34,26-15-4-2-5-16-26)27-17-6-3-7-18-27)32-20-9-8-19-28(32)31(23)21-11-13-24-12-10-14-25(30)22-24/h2-20,22H,21H2,1H3/q+1/b13-11+
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n/an/a 23n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Antagonist activity at neuropeptide S receptor (unknown origin) expressed in CHO cells assessed as inhibition of NPS-induced calcium mobilization aft...


Citation and Details
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens)
BDBM50443391
PNG
(CHEMBL469695)
Show SMILES Fc1ccc(CNC(=O)N2CCN3C(C2)C(OC3=O)(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C26H24FN3O3/c27-22-13-11-19(12-14-22)17-28-24(31)29-15-16-30-23(18-29)26(33-25(30)32,20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,23H,15-18H2,(H,28,31)
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n/an/a 25n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr10-NPS from human neuropeptide S receptor expressed in CHO cells after 1.5 hrs by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens)
BDBM50417462
PNG
(CHEMBL469696)
Show SMILES O=C(NCc1ccccc1)N1CCN2C(C1)C(OC2=O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H25N3O3/c30-24(27-18-20-10-4-1-5-11-20)28-16-17-29-23(19-28)26(32-25(29)31,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,23H,16-19H2,(H,27,30)
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n/an/a 26n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Antagonist activity at neuropeptide S receptor (unknown origin) assessed as intracellular calcium level by cell based assay


Citation and Details
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens)
BDBM50443417
PNG
(CHEMBL3086828)
Show SMILES O=C1c2ccccc2C(=O)C1(N1CCN(Cc2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C26H24N2O2/c29-24-22-13-7-8-14-23(22)25(30)26(24,21-11-5-2-6-12-21)28-17-15-27(16-18-28)19-20-9-3-1-4-10-20/h1-14H,15-19H2
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n/an/a 27n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Antagonist activity at neuropeptide S receptor (unknown origin) assessed as intracellular calcium level by cell based assay


Citation and Details
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens)
BDBM50443391
PNG
(CHEMBL469695)
Show SMILES Fc1ccc(CNC(=O)N2CCN3C(C2)C(OC3=O)(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C26H24FN3O3/c27-22-13-11-19(12-14-22)17-28-24(31)29-15-16-30-23(18-29)26(33-25(30)32,20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,23H,15-18H2,(H,28,31)
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n/an/a 28n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Antagonist activity at neuropeptide S receptor (unknown origin) assessed as intracellular calcium level by cell based assay


Citation and Details
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens)
BDBM89034
PNG
((1,2-dimethyl-3-imidazo[1,2-a]pyridin-4-iumyl)-dip...)
Show SMILES Cc1c([n+]2ccccc2n1C)P(=S)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H20N2PS/c1-17-21(23-16-10-9-15-20(23)22(17)2)24(25,18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-16H,1-2H3/q+1
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n/an/a 30n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Antagonist activity at neuropeptide S receptor (unknown origin) expressed in CHO cells assessed as inhibition of NPS-induced ERK activation after 20 ...


Citation and Details
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens)
BDBM50322834
PNG
(CHEMBL1210242 | N-((1-methyl-2-oxo-1,2-dihydroquin...)
Show SMILES Cn1c2ccccc2cc(CN(C(=O)C2CCCCC2)C(C)(C)CCN2CCCCC2)c1=O
Show InChI InChI=1S/C28H41N3O2/c1-28(2,16-19-30-17-10-5-11-18-30)31(27(33)22-12-6-4-7-13-22)21-24-20-23-14-8-9-15-25(23)29(3)26(24)32/h8-9,14-15,20,22H,4-7,10-13,16-19,21H2,1-3H3
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n/an/a 31n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant NPS receptor expressed in CHOK1 cells assessed as inhibition of NPS-induced calcium mobilization by FLIPR as...


Citation and Details
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens)
BDBM50417463
PNG
(CHEMBL1289571)
Show SMILES O=C(Nc1ccccc1C(=O)N1CCCCC1)c1ccc(o1)-c1ccccc1
Show InChI InChI=1S/C23H22N2O3/c26-22(21-14-13-20(28-21)17-9-3-1-4-10-17)24-19-12-6-5-11-18(19)23(27)25-15-7-2-8-16-25/h1,3-6,9-14H,2,7-8,15-16H2,(H,24,26)
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n/an/a 31.6n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant GPR154 receptor expressed in HEK293 cells assessed as inhibition of neuropeptide S-induced increase of intra...


Citation and Details
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens)
BDBM50443396
PNG
(CHEMBL3086833)
Show SMILES Cc1c(n2ccccc2[n+]1Cc1ccccc1)P(=S)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H24N2PS/c1-22-27(30(31,24-15-7-3-8-16-24)25-17-9-4-10-18-25)28-20-12-11-19-26(28)29(22)21-23-13-5-2-6-14-23/h2-20H,21H2,1H3/q+1
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n/an/a 32n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Antagonist activity at neuropeptide S receptor (unknown origin) expressed in CHO cells assessed as inhibition of NPS-induced calcium mobilization aft...


Citation and Details
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens)
BDBM50348617
PNG
(CHEMBL1801361)
Show SMILES CCN(CC)C(=O)CCC1(c2c(cccc2OC)-c2nccn12)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H26ClN3O2/c1-4-27(5-2)21(29)13-14-24(17-9-11-18(25)12-10-17)22-19(7-6-8-20(22)30-3)23-26-15-16-28(23)24/h6-12,15-16H,4-5,13-14H2,1-3H3
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n/an/a 43n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Antagonist activity at neuropeptide S receptor (unknown origin) assessed as intracellular calcium level by cell based assay


Citation and Details
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens)
BDBM50348617
PNG
(CHEMBL1801361)
Show SMILES CCN(CC)C(=O)CCC1(c2c(cccc2OC)-c2nccn12)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H26ClN3O2/c1-4-27(5-2)21(29)13-14-24(17-9-11-18(25)12-10-17)22-19(7-6-8-20(22)30-3)23-26-15-16-28(23)24/h6-12,15-16H,4-5,13-14H2,1-3H3
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n/an/a 43n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant NPS receptor expressed in CHOK1 cells assessed as inhibition of NPS-induced calcium mobilization by FLIPR as...


Citation and Details
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens)
BDBM50443402
PNG
(CHEMBL3086827)
Show SMILES Cc1c(n2ccccc2[n+]1C\C=C\c1ccc(F)c(Br)c1)P(=S)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H24BrFN2PS/c1-22-29(34(35,24-12-4-2-5-13-24)25-14-6-3-7-15-25)33-19-9-8-16-28(33)32(22)20-10-11-23-17-18-27(31)26(30)21-23/h2-19,21H,20H2,1H3/q+1/b11-10+
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n/an/a 45n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Antagonist activity at neuropeptide S receptor (unknown origin) expressed in CHO cells assessed as inhibition of NPS-induced calcium mobilization aft...


Citation and Details
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens)
BDBM50443390
PNG
(CHEMBL1474387)
Show SMILES Cc1c(n2ccccc2[n+]1C\C=C\c1ccccc1)P(=S)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H26N2PS/c1-24-29(32(33,26-17-7-3-8-18-26)27-19-9-4-10-20-27)31-22-12-11-21-28(31)30(24)23-13-16-25-14-5-2-6-15-25/h2-22H,23H2,1H3/q+1/b16-13+
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n/an/a 45n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Antagonist activity at neuropeptide S receptor (unknown origin) expressed in CHO cells assessed as cAMP level after 30 mins by phosphate-buffered sal...


Citation and Details
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens)
BDBM50348615
PNG
(CHEMBL1801359)
Show SMILES COc1cccc2-c3nccn3C(CC3CCOCC3)(c12)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H23ClN2O2/c1-27-20-4-2-3-19-21(20)23(26-12-11-25-22(19)26,15-16-9-13-28-14-10-16)17-5-7-18(24)8-6-17/h2-8,11-12,16H,9-10,13-15H2,1H3
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n/an/a 46n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant NPS receptor expressed in CHOK1 cells assessed as inhibition of NPS-induced calcium mobilization by FLIPR as...


Citation and Details
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens)
BDBM50443391
PNG
(CHEMBL469695)
Show SMILES Fc1ccc(CNC(=O)N2CCN3C(C2)C(OC3=O)(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C26H24FN3O3/c27-22-13-11-19(12-14-22)17-28-24(31)29-15-16-30-23(18-29)26(33-25(30)32,20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,23H,15-18H2,(H,28,31)
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n/an/a 48n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr10-NPS from neuropeptide S receptor (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
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